6-Hepten-4-yn-3-ol,6-methyl- supplier

Name
6-METHYL-6-HEPTEN-4-YN-3-OL
EINECS
CAS No. 95764-76-4
Article Data2
CAS DataBase
Density 0.908 g/cm³
Solubility
Melting Point
Formula C₈H₁₂O
Boiling Point 184.6 °C at 760 mmHg
Molecular Weight 124.18
Flash Point 73.5 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 6-Methyl-6-hepten-4-yn-3-ol;6-Methylhept-6-en-4-yn-3-ol;
PSA 20.23000
LogP 1.33680

6-Hepten-4-yn-3-ol,6-methyl- Specification

The 6-Hepten-4-yn-3-ol,6-methyl-, with the CAS registry number 95764-76-4, is also known as 6-Methylhept-6-en-4-yn-3-ol. This chemical's molecular formula is C₈H₁₂O and molecular weight is 124.18. What's more, its IUPAC name is 6-methylhept-6-en-4-yn-3-ol.

Physical properties of 6-Hepten-4-yn-3-ol,6-methyl- are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/BCF (pH 5.5): 55.92; (5)ACD/KOC (pH 5.5): 620.2; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 9.23 Å²; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 38.17 cm³; (12)Molar Volume: 136.6 cm³; (13)Polarizability: 15.13×10^-24cm³; (14)Surface Tension: 33.1 dyne/cm; (15)Density: 0.908 g/cm³; (16)Flash Point: 73.5 °C; (17)Enthalpy of Vaporization: 48.98 kJ/mol; (18)Boiling Point: 184.6 °C at 760 mmHg; (19)Vapour Pressure: 0.207 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C#CC(=C)C)O
(2)InChI: InChI=1S/C8H12O/c1-4-8(9)6-5-7(2)3/h8-9H,2,4H2,1,3H3
(3)InChIKey: DUDZQARPXNGCOB-UHFFFAOYSA-N

Product Name

6-METHYL-6-HEPTEN-4-YN-3-OL

6-Hepten-4-yn-3-ol,6-methyl- Specification

Related Products

Hot Products